Carbon rings decorated with group 14 elements: New aromatic clusters containing planar tetracoordinate carbon

Osvaldo Yañez, Alejandro Vásquez-Espinal, Rodrigo Báez-Grez, Walter A. Rabanal-León, Edison Osorio, Lina Ruiz, William Tiznado

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

A simple and chemically intuitive approach is used to design ptC-containing E-C clusters (E = Si-Pb). This approach consists in replacing three or two consecutive protons from an aromatic hydrocarbon by one E 2 4+ or one E 2+ fragment, respectively. In the model, electrons from E are removed from the p z orbitals, emptying them. Si-Pb favors the formation of a 3c-2e (E-C-E) σ-bond, which involves the ptC. Additionally, the π-electronic cloud is delocalized through the E-p z orbitals allowing the E atoms to effectively take part in the electronic delocalization, preserving the 4n + 2 Hückel's rule from the parent hydrocarbon. Two aromatic monocycles and one aromatic bicycle-benzene (C 6 H 6 ), cyclopentadienyl anion (C 5 H 5 - ) and pentalene dianion (C 8 H 6 2- )-have been transformed into C-E systems. After an extensive exploration of their potential energy surfaces, four new global minima with ptC are identified, resulting from the substitution of the protons by Si and Ge cations in C 5 H 5 - and C 8 H 6 2- (E 3 C 5 and E 4 C 8 ). The analysis of both the chemical bonding and the magnetic response to an external magnetic field confirms the aromatic character of these species.

Original languageEnglish
Pages (from-to)6781-6785
Number of pages5
JournalNew Journal of Chemistry
Volume43
Issue number17
DOIs
Publication statusPublished - 1 Jan 2019

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Materials Chemistry

Fingerprint

Dive into the research topics of 'Carbon rings decorated with group 14 elements: New aromatic clusters containing planar tetracoordinate carbon'. Together they form a unique fingerprint.

Cite this